Ferrobustamite
Yamanaka T, Sadanaga R, Takeuchi Y
American Mineralogist 62 (1977) 1216-1224
Structural variation in the ferrobustamite solid solution
Note: Wo82Fs18
Locality: Ofuku mine, Yamaguchi Prefecture, Japan
_database_code_amcsd 0000607
7.862 7.253 13.967 89.44 95.28 103.29 A-1
atom     x     y     z  occ  Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca1  .2006 .4175 .3775 .972  .417  .0021  .0025  .0006  .0004  .0001  .0000
Fe1  .2006 .4175 .3775 .028  .417  .0021  .0025  .0006  .0004  .0001  .0000
Ca2  .1988 .9329 .3757 .983  .536  .0023  .0027  .0007  .0004  .0001  .0000
Fe2  .1988 .9329 .3757 .017  .536  .0023  .0027  .0007  .0004  .0001  .0000
Ca3     .5   .25   .25 .035  .505  .0022  .0025  .0007  .0004  .0001      0
Fe3     .5   .25   .25 .965  .505  .0022  .0025  .0007  .0004  .0001      0
Ca4     .5   .75   .25 .986  .536  .0023  .0027  .0007  .0004  .0001      0
Fe4     .5   .75   .25 .014  .536  .0023  .0027  .0007  .0004  .0001      0
Si1  .1888 .3960 .6365       .355  .0015  .0018  .0005  .0003  .0001  .0000
Si2  .1925 .9570 .6315       .631  .0018  .0021  .0005  .0003  .0001  .0000
Si3  .3971 .7263 .5231       .349  .0015  .0018  .0005  .0003  .0001  .0000
O1   .4292 .2346 .4026       .724  .0031  .0036  .0009  .0005  .0002  .0000
O2   .4008 .7237 .4085       .579  .0025  .0029  .0007  .0004  .0001  .0000
O3   .3177 .4808 .7315       .687  .0030  .0035  .0009  .0005  .0002  .0000
O4   .3103 .9280 .7292       .900  .0039  .0045  .0012  .0007  .0002  .0000
O5   .0150 .6213 .3556       .870  .0038  .0044  .0011  .0006  .0002  .0000
O6   .0129 .1339 .3738      1.043  .0045  .0052  .0013  .0008  .0002  .0000
O7   .2637 .5183 .5434       .772  .0033  .0039  .0010  .0006  .0002  .0000
O8   .2787 .8838 .5400       .823  .0036  .0042  .0011  .0006  .0002  .0000
O9   .2238 .1860 .6188      1.107  .0048  .0056  .0014  .0008  .0003  .0001